1-[(3-bromophenyl)-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-methyl-4-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-methyl-4-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-methylpyridin-4-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(3-methyl-4-pyridyl)methyl]proline Formula: C18H19BrN2O2 MolecularWeight: 375.25966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC(=CC=C2)Br)N3CCCC3C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC(=CC=C2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C18H19BrN2O2/c1-12-11-20-8-7-15(12)17(13-4-2-5-14(19)10-13)21-9-3-6-16(21)18(22)23/h2,4-5,7-8,10-11,16-17H,3,6,9H2,1H3,(H,22,23)